1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine

C10H20N4 — CID 63759365

IUPAC1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
SMILESCc1nccn1CCN(C)CC(C)N
InChIInChI=1S/C10H20N4/c1-9(11)8-13(3)6-7-14-5-4-12-10(14)2/h4-5,9H,6-8,11H2,1-3H3
InChIKeyNDVDAJDFFHOOTK-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.47
Rot. Bonds5

About 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine

1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine (PubChem CID 63759365) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
PubChem CID63759365
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
SMILESCc1nccn1CCN(C)CC(C)N
InChIInChI=1S/C10H20N4/c1-9(11)8-13(3)6-7-14-5-4-12-10(14)2/h4-5,9H,6-8,11H2,1-3H3
InChIKeyNDVDAJDFFHOOTK-UHFFFAOYSA-N
XLogP0.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine (CID 63759365) is 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine is Cc1nccn1CCN(C)CC(C)N.
What is the InChIKey of 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine?
The InChIKey is NDVDAJDFFHOOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(11)8-13(3)6-7-14-5-4-12-10(14)2/h4-5,9H,6-8,11H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine?
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 63759365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).